Darstellung und Röntgenstrukturanalyse von (CH3)3C-C7H7Mo(CO)3 (1-6- η-7-tert-Butyl-cycloheptatrien)(tricarbonyl)molybdän(0) / Synthesis and Crystal Structure of (CH3)3C-C7H7Mo(CO)3 (1-6-η-7-tert-Butyl-cycloheptatriene)(tricarbonyl)molybdenum(0)

1975 ◽  
Vol 30 (9-10) ◽  
pp. 699-709 ◽  
Author(s):  
Peter O. Tremmel ◽  
Klaus Weidenhammer ◽  
Henning Wienand ◽  
Manfred L. Ziegler
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Three Dimensional ◽  
Synthesis And Crystal Structure ◽  
Fourier Methods ◽  
X Ray ◽  
Tert Butyl ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The title compound has been synthesized by three different methods and its structure determined from three dimensional X-ray data by Patterson and Fourier methods. The crystals are triclinic with unit cell dimensions a = 1022.60 ± 0.07 pm, b = 638.69 ± 0.27 pm, c = 1478.00 ± 0.19 pm, α = 78.48 ±0.02°, β = 131.049 ± 0.008°, γ = 87.16 ± 0.03 °, space group Ci1—PT and Z = 2. Least squares refinement by use of 2160 independent reflections measured on a diffractometer has reached R = 5.4%.There are discrete (CH3)3C—C7H7Mo(CO)3 molecules, the central molybdenum atom is octahedrally coordinated.

scholarly journals Molekül- und Kristallstruktur von C7H7Mo(CO)2-SnCl3 / The Crystal Structure of C7H7Mo(CO)2-SnCl3

1975 ◽  
Vol 30 (1-2) ◽  
pp. 22-25 ◽  
Author(s):  
M. L. Ziegler ◽  
H.-E. Sasse ◽  
B. Nuber
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Three Dimensional ◽  
Unit Cell ◽  
Fourier Methods ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Group D

The structure of the title compound has been determined from three dimensional X-ray data by Patterson and Fourier methods. The crystals are orthorombic, with unit cell dimensions a = 1181,50 pm, b = 943,68 pm, c = 1181,50 pm, space group D2h16 and Z = 4. Least squares refinement, by use of 1540 independent reflections measured on a diffractometer has reached R = 5,9%.There are discrete C7H7Mo(CO)2 SnCl3 molecules, the molybdenum-tin bond has been dicussed together with the corresponding bonds in other C7H7Mo(CO)2 SnR3 compounds.

Synthesis and crystal structure of Na3.5Cr1.5Co0.5(PO4)3 phosphate

2006 ◽  
Vol 21 (3) ◽  
pp. 210-213 ◽  
Author(s):  
Mohamed Chakir ◽  
Abdelaziz El Jazouli ◽  
Jean-Pierre Chaminade
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Hexagonal Unit Cell ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

A new Nasicon phosphates series [Na3+xCr2−xCox(PO4)3(0⩽x⩽1)] was synthesized by a coprecipitation method and structurally characterized by powder X-ray diffraction. The selected compound Na3.5Cr1.5Co0.5(PO4)3 (x=0.5) crystallizes in the R3c space group with the following hexagonal unit-cell dimensions: ah=8.7285(3) Å, ch=21.580(2) Å, V=1423.8(1) Å3, and Z=6. This three-dimensional framework is built of PO4 tetrahedra and Cr∕CoO6 octahedra sharing corners. Na atoms occupy totally M(1) sites and partially M(2) sites.

Die Kristall- und Molekülstrukturen von π-C7Η7Μο(CO)2Cl und π-C7H7Mo(CO)2Br / The Crystal Structures of π-C7Η7Μο(CO)2Cl and π-C7H7Mo(CO)2Br

1975 ◽  
Vol 30 (1-2) ◽  
pp. 26-29 ◽  
Author(s):  
M. L. Ziegler ◽  
H. E. Sasse ◽  
B. Nuber
Keyword(s):  
Least Squares ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Unit Cell ◽  
Fourier Methods ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Group D ◽  
Chlorine Bond

The structures of the title compounds have been determined from three dimensional X-ray data by Patterson and Fourier methods. The crystals of both are orthorombic with the space group D42-P 212121. The chloride (2) and the bromide (3) are isomorphous, they have unit cell dimensions a = 642,76 pm, b =1187,27 pm, c =1311,14 pm (2) and 644,59 pm, 1183,78 pm, c = 1321,83 pm (3) and Z = 4. Least squares refinement by use of 1179 (2) and 1037 (3) independent reflections measured on a diffractometer has reached R = 12,5% and R = 7,4% respectively. The molybdenum-bromine bond in 3 is relatively shorter than the molybdenum-chlorine bond in 2, due to greater dπ-dπ interaction.

scholarly journals The reaction of 3,5-diphenyl-1,2-dithiolium-4-olate with aniline: the crystal structure of 1-phenylimino-2-phenylamino-3-phenylindene

1987 ◽  
Vol 65 (12) ◽  
pp. 2830-2833 ◽  
Author(s):  
David M. McKinnon ◽  
Peter D. Clark ◽  
Robert O. Martin ◽  
Louis T. J. Delbaere ◽  
J. Wilson Quail
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

3,5-Diphenyl-1,2-dithiolium-4-olate (1) reacts with aniline to form 1-phenylimino-2-phenylamino-3-phenylindene (3a). Under suitable conditions, 6-phenylbenzo[b]indeno[1,2-e]-1,2-thiazine is also formed. These structures are confirmed by alternative syntheses. The molecular structure of 3a has been determined by single crystal X-ray diffraction. Compound 3a crystallizes in the monoclinic space group C2/c with unit cell dimensions a = 20.777(3) Å, b = 6.130(3) Å, c = 31.327(3) Å, 3 = 99.59(1)°, and Z = 8. The structure was solved by direct methods and refined by least squares to a final R = 0.055. The molecular structure of 3a shows the three phenyl containing substituents to have the planes of their ring systems tilted between 40° and 60° from the plane of the indene system due to steric repulsions.

Reaktion von 1.4-Dienen mit Metallkomplexen, I Darstellung und Röntgenstrukturanalyse eines π-enyl-Komplexes der Zusammensetzung (C8H13PdCl)2/ Reaction of 1,4-Dienes with Metal Complexes, I Synthesis and X-ray Structure Determination of a π-enyl Complex of Composition (C8H18PdCl)2

1976 ◽  
Vol 31 (4) ◽  
pp. 455-462 ◽  
Author(s):  
Peter Feldhaus ◽  
Richard Ratka ◽  
Hermann Schmid ◽  
Manfred L. Ziegler
Keyword(s):  
Metal Complexes ◽  
Structure Determination ◽  
Three Dimensional ◽  
Fourier Methods ◽  
X Ray ◽  
H Nmr ◽  
Nmr Data ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Reaction of (C6H5CN)2PdCl2 and 1,3-dimethylenecyclohexane led to an exocyclic π-enyl complex of formula (C8H13PdCl)2-bis(η3-2-methylene-6-methylcyclohexyl)(di-µ-chloro)-dipalladium. IR and 1H NMR data are in agreement with this formulation.The compound is monoclinic, with unit cell dimensions α = 499.97 ± 0.08, b =1342.26 ± 0.19, c =1379.60 ± 0.20 pm, β = 99.43 ± 0.02°, space group C5h2-P21/C, Ζ = 2, dX-ray = 1.83 g/cm3.The structure was determined from three-dimensional X-ray data by Patterson and Fourier methods. Least squares refinement by use of 1045 independent reflections has reached R1 = 5.6%.

scholarly journals Synthesis and Crystal Structure of 3-3’-Diaminomethyldipropylammonium Hexachlorobismuthate (III)

2016 ◽  
Vol 8 (1) ◽  
pp. 1500-1507
Author(s):  
Yosra Baklouti ◽  
Abdelaziz Koumina ◽  
Mohamed Fliyou ◽  
Fatma Zouari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Synthesis And Crystal Structure ◽  
Organic Layers ◽  
Triclinic System ◽  
Dimensional Network ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Synthesis and crystal structure of 3-3’-diamino-N-methyldipropylammonuim hexachlorobismuthate (III) are reported. The compound crystallizes in the triclinic system with space group P1. The unit cell dimensions are:             a = 7.5580(5), b =7.8710(6), c = 8.3709(7) Å with Z=1. The crystal is built up of separated [BiCl6]3- octahedral anions and 3-3’-diamino-N- methyldipropylammonium cations. The organic layers are arranged in sandwich between the anionic ones. The crystal packing is governed by means of the ionic   N–H···Cl hydrogen bonds, forming a three dimensional network.

Crystal and molecular structure of Octacarbonylbis(diphenylarsino)-methanedimanganese(0)

1983 ◽  
Vol 36 (4) ◽  
pp. 683 ◽  
Author(s):  
BF Hoskins ◽  
RJ Steen
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Parent Compound ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Fourier Methods ◽  
X Ray

The crystal structure of the complex Mn2(CO)8(dam) (dam = Ph2AsCH2AsPh2) has been determined by three-dimensional X-ray diffraction methods. The crystals are triclinic, space group P1, with a 11.191(1), b 16.498(5), c 9.455(1) �, a 93.64(2), β 109.08(2), γ 89.36(2)� and contain two discrete, binuclear molecules of Mn2(CO)8(dam) per unit cell. The structure, solved by direct and Fourier methods, was refined by a least-squares procedure to R and Rw of 0.065 and 0.082 respectively for 1907 independent, statistically significant reflections collected by counter methods. The feature of particular interest in this compound is the accommodation of the bridging bidentate dam ligand [As.. .As separation 3.242(2) �] across a shorter Mn�-Mn� bond [2.962(3) �] which constrains the molecule so that a much less staggered configuration of the two manganese coordination octahedra is observed relative to the parent compound Mn2(CO)10, the rotation of the two equatorial planes in the former being 30�.

Crystal structure of biphenylenyliodonium[bis(phenylsulphonyl)] methylsulphonylmethylide, C28H21IO6S3

1994 ◽  
Vol 209 (6) ◽  
Author(s):  
A. P. Bozopoulos ◽  
C. A. Kavounis ◽  
G. A. Stergioudis ◽  
P. J. Rentzeperis ◽  
A. Varvoglis
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Computer Controlled

AbstractThe crystal and molecular structure of the title compound (BPIS hereafter) has been determined from three-dimensional X-ray data, measured on a computer-controlled STOE AED 2 diffractometer. The structure is triclinic Space groupThe structure was solved by Patterson and Fourier syntheses and refined by least-squares calculations to a finalTwo I-C

Crystal structure of the ferromagnetic polymer potassium Bis(carbonato)cuprate(II)

1980 ◽  
Vol 33 (2) ◽  
pp. 431 ◽  
Author(s):  
A Farrand ◽  
AK Gregson ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Square Planar

The crystal structure of the title compound, K2Cu(CO3)2, has been determined by single-crystal X-ray diffraction at 295(1) K, and refined by least squares to a residual of 0.027 for 1441 'observed' reflections. Crystals are orthorhombic, space group Fdd2, a 11.425(3), b 17.658(4), c 6.154(2) A, Z 8. The structure comprises potassium cations embedded in an infinite three-dimensional polymeric anionic array of square-planar coordinated copper atoms with bridging carbonate groups [Cu-O 1.934(2), 1.936(2) Ǻ]. Within the latter, the non- coordinating oxygen-carbon bond is shorter [1.259(3) Ǻ] than the other two [1.303(3), 1.307(2) Ǻ] and the O-C-O angle opposite it is correspondingly reduced to 117.1(2)°. The CO3 plane lies at 83.9° to the CuO4 'plane'.

The Crystal Structure of a Thiathiophthen Nitrogen Isostere, 3,5-Epidithio-2,5-diphenyl-2,4-pentadienylidene-3-aminoquinoline

1971 ◽  
Vol 49 (2) ◽  
pp. 167-172 ◽  
Author(s):  
F. Leung ◽  
S. C. Nyburg
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Unit Cell ◽  
Full Matrix ◽  
X Ray ◽  
Bond Lengths ◽  
Triclinic System ◽  
R Factor ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The crystal structure of a thiathiophthen nitrogen isostere (7) has been solved by X-ray analysis. The crystal belongs to the triclinic system with unit cell dimensions: a = 11.275(11), b = 9.558(10), c = 10.797(10) Å, α = 92.50(10), β = 116.98(10), γ = 92.61(10)°. There are two molecules per unit cell, space group [Formula: see text]. The data were collected by diffractometer with CuKα radiation. The structure was solved by symbolic addition procedures, and fully refined anisotropically using full-matrix least squares to an R factor of 6.3%.The S—S and S—N bond lengths were found to be 2.364 and 1.887 Å, respectively. This reveals the partial bonding character between S … S … N atoms.

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